[(2Z)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-[(E)-3-phenylprop-2-enylidene]coumaran-6-yl] ester Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC=CC4=CC=CC=C4)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/O3

InChI

InChI=1S/C24H18O5S/c1-17-10-13-20(14-11-17)30(26,27)29-19-12-15-21-23(16-19)28-22(24(21)25)9-5-8-18-6-3-2-4-7-18/h2-16H,1H3/b8-5+,22-9-